ethyl 4-(4-bromophenyl)-2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[4-(4-tert-butylphenoxy)butanoylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C28H31BrN2O4S2 MolecularWeight: 603.59074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=S)NC(=O)CCCOC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H31BrN2O4S2/c1-5-34-26(33)24-22(18-8-12-20(29)13-9-18)17-37-25(24)31-27(36)30-23(32)7-6-16-35-21-14-10-19(11-15-21)28(2,3)4/h8-15,17H,5-7,16H2,1-4H3,(H2,30,31,32,36)